[HTML][HTML] Lipase inhibitors for obesity: A review

TT Liu, XT Liu, QX Chen, Y Shi - Biomedicine & Pharmacotherapy, 2020 - Elsevier
With the rapid increase in the population of obese individuals, obesity has become a global
problem. Many kinds of chronic metabolic diseases easily caused by obesity have received …

Docking screens for novel ligands conferring new biology: Miniperspective

JJ Irwin, BK Shoichet - Journal of medicinal chemistry, 2016 - ACS Publications
It is now plausible to dock libraries of 10 million molecules against targets over several days
or weeks. When the molecules screened are commercially available, they may be rapidly …

Identification of ABX-1431, a selective inhibitor of monoacylglycerol lipase and clinical candidate for treatment of neurological disorders

JS Cisar, OD Weber, JR Clapper… - Journal of medicinal …, 2018 - ACS Publications
The serine hydrolase monoacylglycerol lipase (MGLL) converts the endogenous
cannabinoid receptor agonist 2-arachidonoylglycerol (2-AG) and other monoacylglycerols …

A mutant T1 lipase homology modeling, and its molecular docking and molecular dynamics simulation with fatty acids

X Qin, J Zhong, Y Wang - Journal of Biotechnology, 2021 - Elsevier
A thermostable T1 lipase from Geobacillus zalihae exhibits broad substrate specificity and
good potential application in fats and oils. However, structural insight into the enzyme …

Targeting monoacylglycerol lipase in pursuit of therapies for neurological and neurodegenerative diseases

A Zanfirescu, A Ungurianu, DP Mihai, D Radulescu… - Molecules, 2021 - mdpi.com
Neurological and neurodegenerative diseases are debilitating conditions, and frequently
lack an effective treatment. Monoacylglycerol lipase (MAGL) is a key enzyme involved in the …

Virtual screening of the inhibitors targeting at the viral protein 40 of Ebola virus

V Karthick, N Nagasundaram, CGP Doss… - Infectious diseases of …, 2016 - Springer
Abstract Background The Ebola virus is highly pathogenic and destructive to humans and
other primates. The Ebola virus encodes viral protein 40 (VP40), which is highly expressed …

Structure-based pharmacophore modeling, virtual screening and simulation studies for the identification of potent anticancerous phytochemical lead targeting cyclin …

M Sharma, N Sharma, M Muddassir… - Journal of …, 2022 - Taylor & Francis
Cyclin-dependent kinases are of critical importance in directing various cell cycle phases
making them as potential tumor targets. Cyclin-dependent kinase 2 (CDK2) in particular …

Identification of a novel class of BRD4 inhibitors by computational screening and binding simulations

BK Allen, S Mehta, SWJ Ember, JY Zhu… - ACS …, 2017 - ACS Publications
Computational screening is a method to prioritize small-molecule compounds based on the
structural and biochemical attributes built from ligand and target information. Previously, we …

Application of temperature-dependent and steered molecular dynamics simulation to screen anti-dengue compounds against Marburg virus

AA Rabaan, ZH Almansour, A Al Bshabshe… - Journal of …, 2024 - Taylor & Francis
Marburg virus infections are extremely fatal with a fatality range of 23% to 90%, therefore
there is an urgent requirement to design and develop efficient therapeutic molecules. Here …

Novel reversible-binding PET ligands for imaging monoacylglycerol lipase based on the piperazinyl azetidine scaffold

J Rong, W Mori, X Xia, MA Schafroth… - Journal of medicinal …, 2021 - ACS Publications
Monoacylglycerol lipase (MAGL) is a 33 kDa serine protease primarily responsible for
hydrolyzing 2-arachidonoylglycerol into the proinflammatory eicosanoid precursor …